| SpectraBase Compound ID | E7laemKCXPE |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-19-14(17)13(15(18)20-6-2)16(3,4)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3 |
| InChIKey | SRIDQAOHTPULGP-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdPpQTDZ7lO |
|---|---|
| Name | (alpha,alpha-Dimethylbenzyl)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-5-19-14(17)13(15(18)20-6-2)16(3,4)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3 |
| InChIKey | SRIDQAOHTPULGP-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(C(OCC)=O)C(OCC)=O)(C)C |